SCHEMBL16891348

SCHEMBL16891348

CC[C@](C)(O)c1ccc(F)c(OCC2CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 7/20 0.46
▸ RIPK1 Q13546 1/20 0.40
▸ IDO1 P14902 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ GRM2 Q14416 1/20 0.38
▸ HTR2A P28223 2/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ CNR2 P34972 3/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20204783 0.88 DUT (0.53) DUTRIPK1IDO1TDO2GRM2
SCHEMBL21325251 0.87 DUT (0.45) DUTRIPK1IDO1TDO2GRM2
SCHEMBL20188354 0.87 DUT (0.43) DUTRIPK1IDO1TDO2GRM2
SCHEMBL22414494 0.86 DUT (0.45) DUTRIPK1IDO1TDO2GRM2
SCHEMBL20347946 0.84 DUT (0.46) DUTRIPK1IDO1TDO2GRM2
SCHEMBL21324997 0.84 DUT (0.51) DUTRIPK1IDO1TDO2GRM2
SCHEMBL21315522 0.83 DUT (0.50) DUTIDO1TDO2GRM2HTR2A
SCHEMBL20188353 0.83 DUT (0.50) DUTIDO1TDO2GRM2HTR2A
SCHEMBL12696881 0.82 DUT (0.44) DUTRIPK1IDO1TDO2GRM2
SCHEMBL15864648 0.82 DUT (0.39) DUTRIPK1IDO1TDO2GRM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015103489-A1 HETEROATOM CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2015-07-09 — — WO disclosed
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